tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate

C10H14BrN3O2 — CID 57345809

IUPACtert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ncc(Br)cn1
InChIInChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)14-6-8-12-4-7(11)5-13-8/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyPJYCNAIIDIMDQQ-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.26
Rot. Bonds2

About tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate

tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate (PubChem CID 57345809) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate
PubChem CID57345809
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Nametert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ncc(Br)cn1
InChIInChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)14-6-8-12-4-7(11)5-13-8/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyPJYCNAIIDIMDQQ-UHFFFAOYSA-N
XLogP2.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate
CID 21914476
tert-butyl N-[1-(5-bromopyrimidin-2-yl)cyclopropyl]carbamate
CID 67508268
Tert-butyl 3-(5-bromopyrimidin-2-yl)pyrrolidine-1-carboxylate
CID 68403800
1,1-Dimethylethyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]methyl]carbamate
CID 86682142
tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]-N-methylcarbamate
CID 132371402
Tert-butyl 4-(5-bromopyrimidin-2-yl)piperidine-1-carboxylate
CID 133553044
tert-butyl N-(5-bromo-2-chloropyrimidin-4-yl)carbamate
CID 144037526
(S)-[1-(5-bromopyrimidin-2-yl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester
CID 66854295
tert-Butyl 3-(5-bromopyrimidin-2-yl)azetidine-1-carboxylate
CID 136574340
Tert-butyl 2-(5-bromopyrimidin-2-yl)pyrrolidine-1-carboxylate
CID 132343923
Tert-butyl 3-[(5-bromopyrimidin-2-yl)methyl]azetidine-1-carboxylate
CID 165604223
tert-butyl N-(5-bromopyrimidin-4-yl)carbamate
CID 165914242

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate (CID 57345809) is tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1ncc(Br)cn1.
What is the InChIKey of tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate?
The InChIKey is PJYCNAIIDIMDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)14-6-8-12-4-7(11)5-13-8/h4-5H,6H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate?
tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate has a molecular weight of 288.14 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate is sourced from PubChem (CID 57345809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).